N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide

C17H18Cl2N2O2 — CID 109040075

IUPACN-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(23-2)15(9-11)20-8-7-17(22)21-14-10-12(18)4-5-13(14)19/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDYHBBDYTENVOES-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.75
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide

N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide (PubChem CID 109040075) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
PubChem CID109040075
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(23-2)15(9-11)20-8-7-17(22)21-14-10-12(18)4-5-13(14)19/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22)
InChIKeyDYHBBDYTENVOES-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide (CID 109040075) is N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide is COc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide?
The InChIKey is DYHBBDYTENVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(23-2)15(9-11)20-8-7-17(22)21-14-10-12(18)4-5-13(14)19/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide?
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide has a molecular weight of 353.25 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide is sourced from PubChem (CID 109040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).